2-(5-ethyl-1,3-benzothiazol-6-yl)butanoic acid

Systemtic Name: 2-(5-ethyl-1,3-benzothiazol-6-yl)butanoic acid Openeye Name: 2-(5-ethyl-1,3-benzothiazol-6-yl)butanoic acid CAS Name: 2-(5-ethyl-1,3-benzothiazol-6-yl)butanoic acid IUPAC Name: 2-(5-ethyl-1,3-benzothiazol-6-yl)butanoic acid Traditional Name: 2-(5-ethyl-1,3-benzothiazol-6-yl)butyric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(CC)C(=O)O)SC=N2

Isomeric SMILES

CCC1=CC2=C(C=C1C(CC)C(=O)O)SC=N2

InChI

InChI=1S/C13H15NO2S/c1-3-8-5-11-12(17-7-14-11)6-10(8)9(4-2)13(15)16/h5-7,9H,3-4H2,1-2H3,(H,15,16)